HMDB0288193 RDKit 3D PC(20:4(5Z,8Z,11Z,14Z)-OH(16R)/22:4(7Z,10Z,13Z,16Z)) 145144 0 0 0 0 0 0 0 0999 V2000 -0.0587 1.8138 -5.7511 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2172 3.1494 -6.4735 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3406 2.9570 -7.4910 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5635 2.5823 -6.7303 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7422 2.3455 -7.6877 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4494 1.2796 -8.6461 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0994 0.1519 -8.7798 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2719 -0.1771 -7.9223 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8849 -1.4001 -7.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8042 -1.5076 -5.8587 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1177 -0.3318 -4.9782 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1927 -0.7818 -4.0702 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0392 -0.7299 -2.7642 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8408 -0.2402 -2.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2708 -1.2557 -1.1749 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0693 -1.7544 -1.2351 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0640 -1.3604 -2.2438 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5374 -2.5504 -2.9992 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7627 -3.5307 -2.1128 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3919 -2.7971 -1.5865 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3909 -3.5254 -0.7027 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4146 -2.4527 -0.4096 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0714 -1.2325 -0.6467 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6880 -2.6462 0.0764 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4793 -1.4526 0.2410 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3938 -1.3847 -1.0079 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0626 -0.1530 -1.0560 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4163 1.0557 -1.1695 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1375 1.0242 -1.2001 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0173 2.4054 -1.2693 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8927 3.3781 -0.8969 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6031 3.2231 0.6124 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4775 4.0296 1.0053 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4448 3.5630 1.6533 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2913 2.1953 2.0626 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0646 1.5481 1.6027 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1170 1.0748 2.4441 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2630 1.1991 3.9135 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3416 -0.0590 4.6533 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4791 -0.3576 5.6510 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5219 0.4965 6.1151 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9213 0.1261 6.1397 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4768 -1.0101 5.8447 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7158 -2.1962 5.4114 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2849 -2.9514 6.5157 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7253 -3.0605 4.6210 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0825 -4.3249 4.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8782 -4.1596 3.3009 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1330 -3.3951 2.0457 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3408 -1.4239 1.4301 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6554 -1.5360 2.6348 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7162 -1.4790 3.9541 P 0 0 0 0 0 5 0 0 0 0 0 0 6.9851 -2.2388 3.6576 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0198 -2.1585 5.3421 O 0 0 0 0 0 1 0 0 0 0 0 0 6.0630 0.1354 4.2773 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2638 0.4032 5.6256 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5466 1.8755 5.8165 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4866 2.7246 5.3618 N 0 0 0 0 0 4 0 0 0 0 0 0 5.8985 4.1213 5.6139 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2951 2.6539 3.9251 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2443 2.5603 6.0569 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6118 1.7985 -4.7911 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5157 1.0027 -6.3877 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0162 1.6113 -5.6614 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5191 3.9446 -5.7746 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6989 3.4202 -7.0293 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0882 2.1749 -8.2044 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5470 3.9037 -8.0269 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8968 3.3542 -6.0055 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4472 1.6286 -6.1496 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6088 2.2236 -7.0443 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8280 3.2968 -8.3028 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5973 1.4463 -9.3172 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7608 -0.5665 -9.5502 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6539 0.6538 -7.3759 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1155 -0.4622 -8.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6320 -2.3208 -7.7314 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5139 -2.4634 -5.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4174 0.5362 -5.5745 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2267 -0.0441 -4.4264 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1245 -1.1652 -4.5134 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9151 -1.0990 -2.1728 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3036 0.5634 -1.3283 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1477 0.3696 -2.6185 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9403 -1.6331 -0.3707 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7727 -2.5149 -0.5185 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3144 -0.7281 -1.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5338 -0.7094 -3.0422 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8225 -2.2218 -3.7698 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3852 -3.1154 -3.4072 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4080 -4.3319 -2.7951 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4157 -4.0032 -1.3651 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0989 -1.8359 -1.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9869 -2.4236 -2.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9678 -3.9500 0.2032 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8311 -4.3332 -1.3118 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8437 -0.5816 0.1264 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1045 -2.2129 -0.9057 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7836 -1.5713 -1.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8723 2.5006 -0.5876 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3644 2.5480 -2.3064 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2527 4.3874 -1.0989 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9658 3.1674 -1.4518 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5288 3.7542 1.0639 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6776 2.1883 0.8968 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5040 5.1121 0.7299 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6293 4.2688 1.9016 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3616 2.1522 3.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1857 1.5426 1.7653 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8483 1.4113 0.5343 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7578 0.5925 2.0178 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7187 1.7097 4.2421 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0801 1.8751 4.2117 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1351 -0.8031 4.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2623 -1.3348 6.1513 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2082 0.6842 7.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4835 1.5895 5.8125 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6705 0.9323 6.4602 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6083 -1.0916 5.9319 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8962 -2.0084 4.7104 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5016 -3.4703 6.2296 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0478 -2.4613 3.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5391 -3.2784 5.3443 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8587 -4.8529 3.5343 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8664 -5.0190 5.0079 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5092 -5.1883 2.9821 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0872 -3.6910 3.8857 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4950 -3.7508 1.1951 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1920 -3.5192 1.6821 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9407 -2.3027 2.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1984 -2.1576 1.3809 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8884 -0.4321 1.5134 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4207 0.0991 6.2599 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1654 -0.2016 5.9495 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4446 2.1169 5.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7655 2.1242 6.8739 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7954 4.3465 5.0417 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9181 4.3320 6.6818 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0611 4.7321 5.1623 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6623 1.8189 3.6329 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2649 2.5740 3.3914 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7719 3.5789 3.5579 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4325 3.0719 5.4732 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2573 3.1318 7.0333 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9827 1.5269 6.3081 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 2 0 28 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 2 0 34 35 1 0 35 36 1 0 36 37 2 0 37 38 1 0 38 39 1 0 39 40 2 0 40 41 1 0 41 42 1 0 42 43 2 0 43 44 1 0 44 45 1 0 44 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 25 50 1 0 50 51 1 0 51 52 1 0 52 53 2 0 52 54 1 0 52 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 58 60 1 0 58 61 1 0 1 62 1 0 1 63 1 0 1 64 1 0 2 65 1 0 2 66 1 0 3 67 1 0 3 68 1 0 4 69 1 0 4 70 1 0 5 71 1 0 5 72 1 0 6 73 1 0 7 74 1 0 8 75 1 0 8 76 1 0 9 77 1 0 10 78 1 0 11 79 1 0 11 80 1 0 12 81 1 0 13 82 1 0 14 83 1 0 14 84 1 0 15 85 1 0 16 86 1 0 17 87 1 0 17 88 1 0 18 89 1 0 18 90 1 0 19 91 1 0 19 92 1 0 20 93 1 0 20 94 1 0 21 95 1 0 21 96 1 0 25 97 1 1 26 98 1 0 26 99 1 0 30100 1 0 30101 1 0 31102 1 0 31103 1 0 32104 1 0 32105 1 0 33106 1 0 34107 1 0 35108 1 0 35109 1 0 36110 1 0 37111 1 0 38112 1 0 38113 1 0 39114 1 0 40115 1 0 41116 1 0 41117 1 0 42118 1 0 43119 1 0 44120 1 6 45121 1 0 46122 1 0 46123 1 0 47124 1 0 47125 1 0 48126 1 0 48127 1 0 49128 1 0 49129 1 0 49130 1 0 50131 1 0 50132 1 0 56133 1 0 56134 1 0 57135 1 0 57136 1 0 59137 1 0 59138 1 0 59139 1 0 60140 1 0 60141 1 0 60142 1 0 61143 1 0 61144 1 0 61145 1 0 M CHG 2 54 -1 58 1 M END